Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside
TL;DR: Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside (CAS 20744-42-7) is a chemical compound with molecular formula C18H21N3O8 and molecular weight 407.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5-diacetyloxy-2-(azidomethyl)-6-methoxyoxan-3-yl] benzoate
Also Known As: Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside, [4,5-diacetyloxy-2-(azidomethyl)-6-methoxyoxan-3-yl] benzoate, [4,5-diacetyloxy-2-(azidomethyl)-6-methoxy-oxan-3-yl] Benzoate
| Molecular Formula | C18H21N3O8 |
|---|---|
| Molecular Weight | 407.13 g/mol |
| LogP | 1.757 |
| Topological Polar Surface Area | 146.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.13287 |
| Heavy Atoms | 29 |
| Complexity | 780.57074 |
Chemical Identifiers
| CAS Number | 20744-42-7 |
|---|---|
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)OC)CN=[N+]=[N-])OC(=O)C2=CC=CC=C2 |
Product Overview
Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside (CAS 20744-42-7), with molecular formula C18H21N3O8 and molecular weight 407.13 g/mol. IUPAC: [4,5-diacetyloxy-2-(azidomethyl)-6-methoxyoxan-3-yl] benzoate.
Chemical Property Profile of Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside
Property Insights of Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside
The XLogP value of 1.757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside. The TPSA of 146.12 Ų indicates high polarity, suggesting Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside?
The CAS number of Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside is 20744-42-7.
What is the molecular formula of Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside?
The molecular formula of Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside is C18H21N3O8.
What is the molecular weight of Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside?
The molecular weight of Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside is 407.13 g/mol.
Where can I buy Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside?
You can request a quote for Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3-di-O-acetyl-6-azido-4-O-benzoyl-6-deoxyhexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.